6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione

C18H12N4O4 — CID 10383101

IUPAC6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione
SMILESO=c1[nH]c(=O)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2[nH]1
InChIInChI=1S/C18H12N4O4/c23-11-5-1-3-9(7-11)13-14(10-4-2-6-12(24)8-10)20-16-15(19-13)17(25)22-18(26)21-16/h1-8,23-24H,(H2,20,21,22,25,26)
InChIKeyMCICQGDYMXZNFS-UHFFFAOYSA-N
MW348.32 g/mol
LogP1.75
Rot. Bonds2

About 6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione

6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione (PubChem CID 10383101) has the molecular formula C18H12N4O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is 6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione.

Molecular Properties

Compound Name6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione
PubChem CID10383101
Molecular FormulaC18H12N4O4
Molecular Weight348.32 g/mol
Exact Mass348.09
IUPAC Name6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione
SMILESO=c1[nH]c(=O)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2[nH]1
InChIInChI=1S/C18H12N4O4/c23-11-5-1-3-9(7-11)13-14(10-4-2-6-12(24)8-10)20-16-15(19-13)17(25)22-18(26)21-16/h1-8,23-24H,(H2,20,21,22,25,26)
InChIKeyMCICQGDYMXZNFS-UHFFFAOYSA-N
XLogP1.75
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione?
The IUPAC name of 6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione (CID 10383101) is 6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione.
What is the SMILES notation for 6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione?
The canonical SMILES for 6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione is O=c1[nH]c(=O)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2[nH]1.
What is the InChIKey of 6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione?
The InChIKey is MCICQGDYMXZNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O4/c23-11-5-1-3-9(7-11)13-14(10-4-2-6-12(24)8-10)20-16-15(19-13)17(25)22-18(26)21-16/h1-8,23-24H,(H2,20,21,22,25,26).
What are the key properties of 6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione?
6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione has a molecular weight of 348.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(3-hydroxyphenyl)-1H-pteridine-2,4-dione is sourced from PubChem (CID 10383101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).